SCHEMBL10850806

SCHEMBL10850806

CCOC=C(F)C(=O)C(F)(F)C(=O)OCC

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PKM P14618 3/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
THRB P10828 1/20 0.31
MAPT P10636 1/20 0.31
HIF1A Q16665 1/20 0.31
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HTT P42858 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5069189 0.82
SCHEMBL1979744 0.74 ALDH1A1 (0.48) CYP4F2CYP4A11POLBNPSR1PKM
SCHEMBL21974585 0.74 NPSR1 (0.42) NPSR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7785774 0.74 NPSR1 (0.42) NPSR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7785776 0.74 NPSR1 (0.42) NPSR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL11204020 0.73 CYP4F2 (0.42) CYP4F2CYP4A11POLBNPSR1PKM
SCHEMBL10825746 0.70 CYP4F2 (0.40) CYP4F2CYP4A11POLBNPSR1PKM
SCHEMBL7786273 0.69
Water SCHEMBL4000009 0.69 MEN1 (0.44) CYP4F2CYP4A11POLBNPSR1PKM
SCHEMBL29083077 0.69 ALDH1A1 (0.42) CYP4F2CYP4A11POLBNPSR1PKM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4563210-A PRE-AND POSTEMERGENCE ELI LILLY AND COMPANY (US) 1986-01-07 US disclosed